Consensus flow list

Identity

Type
Neutral molecule
CAS
28804-88-8
EC
249-241-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethylnaphthalene

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BDCRKEXCKMPZPT-UHFFFAOYSA-N, QNLZIZAQLLYXTC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3
IUPAC name chemrof:IUPAC_name Dimethylnaphthalene
Molecular formula chemrof:molecular_formula C12H12, C24H24
SMILES string chemrof:smiles_string Cc1ccc2ccccc2c1C

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=28804-88-8 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=573-98-8 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34052 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.514 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1058717 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59832 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL382541 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/23T7O135BD enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244083 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.110J enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C14329 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54913 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11317 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/133112920 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27115775 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
115af808-8baf-4fd3-a2e3-d65b2cbf5381 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
830a902e-2594-48d1-a3ba-d77ee74f5068 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1952d830-87a1-4de3-951e-14a9f8e2c6ea Environmental → Air → Indoor EF 3.1 kg 2
5a871f76-6671-4786-9986-f2f97d37f99d Environmental → Air → Long-term EF 3.1 kg 0
ef0b41de-740c-472e-9bdb-d4d8063b867a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08b93603-bdc4-4240-beac-56ef2c25c296 Environmental → Air → Unknown EF 3.1 kg 2
47da7f8e-bf71-44aa-9d50-0a926db04987 Environmental → Ground → Agricultural EF 3.1 kg 2
4d970111-5d16-46fd-bf46-1bc5b346f2eb Environmental → Ground → Non-agricultural EF 3.1 kg 2
bd8c2798-dea6-49c0-9168-15209d98682e Environmental → Ground → Unknown EF 3.1 kg 2
c19a680a-bebe-4085-af31-7e1108baaf0b Environmental → Water → Long-term EF 3.1 kg 0
5358d0f8-d248-4709-a988-d2d3a686f830 Environmental → Water → Ocean EF 3.1 kg 2
aeb9cfa6-c548-4a62-8292-6ae8c3468bff Environmental → Water → Surface water EF 3.1 kg 2
eba03e66-e105-4a37-89c6-36f8b030c93d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-bdfb2c8c59ce9245",
  "prefLabel": [
    {
      "@value": "Dimethylnaphthalene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Naphthalene, dimethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:28804-88-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=28804-88-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H12",
        "C24H24"
      ],
      "attested_by": {
        "C12H12": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ],
        "C24H24": [
          "enrich_references.pubchem_semantic"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11317",
            "CID:133112920"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc2ccccc2c1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "BDCRKEXCKMPZPT-UHFFFAOYSA-N",
        "QNLZIZAQLLYXTC-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "BDCRKEXCKMPZPT-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic"
        ],
        "QNLZIZAQLLYXTC-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:11317",
            "CID:133112920"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc2ccccc2c1C"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "Cc1ccc2ccccc2c1C"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dimethylnaphthalene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc2ccccc2c1C"
          ]
        }
      ],
      "attested_by": {
        "Cc1ccc2ccccc2c1C": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Dimethylnaphthalene"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Cc1ccc2ccccc2c1C"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C12H12/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h3-8H,1-2H3": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Dimethylnaphthalene"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Dimethylnaphthalene"
        ]
      },
      "attested_by": {
        "Dimethylnaphthalene": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J45.110J",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.008.514",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=28804-88-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "28804-88-8"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=573-98-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID1058717",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59832",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/23T7O135BD",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0244083",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/11317",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28804-88-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/133112920",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:133112920;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[28804-88-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34052",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL382541",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://www.kegg.jp/entry/C14329",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=54913",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q27115775",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:11317;CAS:28804-88-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[28804-88-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "08b93603-bdc4-4240-beac-56ef2c25c296",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "28804-88-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=28804-88-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=28804-88-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "249-241-5"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=249-241-5"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.